2-[2-acetyloxyethyl-[7-methylsulfanyl-2-(phenylmethylsulfanyl)quinolin-3-yl]amino]ethyl ethanoate

Systemtic Name: 2-[2-acetyloxyethyl-[7-methylsulfanyl-2-(phenylmethylsulfanyl)quinolin-3-yl]amino]ethyl ethanoate Openeye Name: 2-[2-acetoxyethyl-(2-benzylsulfanyl-7-methylsulfanyl-3-quinolyl)amino]ethyl acetate CAS Name: acetic acid 2-[2-acetyloxyethyl-[7-(methylthio)-2-(phenylmethylthio)-3-quinolinyl]amino]ethyl ester IUPAC Name: 2-[2-acetyloxyethyl-(2-benzylsulfanyl-7-methylsulfanylquinolin-3-yl)amino]ethyl acetate Traditional Name: acetic acid 2-[2-acetoxyethyl-[2-(benzylthio)-7-(methylthio)-3-quinolyl]amino]ethyl ester Formula: C25H28N2O4S2 MolecularWeight: 484.63082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN(CCOC(=O)C)C1=C(N=C2C=C(C=CC2=C1)SC)SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OCCN(CCOC(=O)C)C1=C(N=C2C=C(C=CC2=C1)SC)SCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O4S2/c1-18(28)30-13-11-27(12-14-31-19(2)29)24-15-21-9-10-22(32-3)16-23(21)26-25(24)33-17-20-7-5-4-6-8-20/h4-10,15-16H,11-14,17H2,1-3H3